BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'hupe' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50043804
PNG
(5-(2-Amino-3-phenyl-propionylamino)-3-isobutyl-7-m...)
Show SMILES CC(C)CC(CC(=O)NO)C(=O)C(CC(C)C)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C22H35N3O4/c1-14(2)10-17(13-20(26)25-29)21(27)19(11-15(3)4)24-22(28)18(23)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,29H,10-13,23H2,1-4H3,(H,24,28)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
13n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043804
PNG
(5-(2-Amino-3-phenyl-propionylamino)-3-isobutyl-7-m...)
Show SMILES CC(C)CC(CC(=O)NO)C(=O)C(CC(C)C)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C22H35N3O4/c1-14(2)10-17(13-20(26)25-29)21(27)19(11-15(3)4)24-22(28)18(23)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,29H,10-13,23H2,1-4H3,(H,24,28)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
15n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043807
PNG
((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.10E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043807
PNG
((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
6.30E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043801
PNG
((S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-p...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043805
PNG
((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1
Show InChI InChI=1S/C23H21N3O6/c27-20-10-11-21(28)26(20)32-22(29)19(12-16-13-24-18-9-5-4-8-17(16)18)25-23(30)31-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,25,30)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043803
PNG
((S)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.80E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043803
PNG
((S)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043813
PNG
((S)-2-tert-Butoxycarbonylamino-3-(1-formyl-1H-indo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H20N2O5/c1-17(2,3)24-16(23)18-13(15(21)22)8-11-9-19(10-20)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8H2,1-3H3,(H,18,23)(H,21,22)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.80E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043796
PNG
((S)-2-Benzyloxycarbonylamino-3-phenyl-propionic ac...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
3.30E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043806
PNG
((S)-2-tert-Butoxycarbonylamino-3-[1-(2,4,6-trimeth...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)n1cc(C[C@H](NC(=O)OC(C)(C)C)C(O)=O)c2ccccc12
Show InChI InChI=1S/C25H30N2O6S/c1-15-11-16(2)22(17(3)12-15)34(31,32)27-14-18(19-9-7-8-10-21(19)27)13-20(23(28)29)26-24(30)33-25(4,5)6/h7-12,14,20H,13H2,1-6H3,(H,26,30)(H,28,29)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
5.20E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043809
PNG
((R)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
7.10E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043796
PNG
((S)-2-Benzyloxycarbonylamino-3-phenyl-propionic ac...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
8.30E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043812
PNG
((S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-p...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON1C(=O)CCC1=O
Show InChI InChI=1S/C20H23N3O6/c1-20(2,3)28-19(27)22-15(18(26)29-23-16(24)8-9-17(23)25)10-12-11-21-14-7-5-4-6-13(12)14/h4-7,11,15,21H,8-10H2,1-3H3,(H,22,27)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
8.40E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043800
PNG
((S)-2-((E)-3-Furan-2-yl-acryloylamino)-3-(1H-indol...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)\C=C\c1ccco1
Show InChI InChI=1S/C18H16N2O4/c21-17(8-7-13-4-3-9-24-13)20-16(18(22)23)10-12-11-19-15-6-2-1-5-14(12)15/h1-9,11,16,19H,10H2,(H,20,21)(H,22,23)/b8-7+/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.20E+5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043809
PNG
((R)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.41E+5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043797
PNG
((R)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
3.56E+5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant stromelysin catalytic domain (SCD)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043797
PNG
((R)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-...)
Show SMILES OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
3.77E+5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS)


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043804
PNG
(5-(2-Amino-3-phenyl-propionylamino)-3-isobutyl-7-m...)
Show SMILES CC(C)CC(CC(=O)NO)C(=O)C(CC(C)C)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C22H35N3O4/c1-14(2)10-17(13-20(26)25-29)21(27)19(11-15(3)4)24-22(28)18(23)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,29H,10-13,23H2,1-4H3,(H,24,28)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS).


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043804
PNG
(5-(2-Amino-3-phenyl-propionylamino)-3-isobutyl-7-m...)
Show SMILES CC(C)CC(CC(=O)NO)C(=O)C(CC(C)C)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C22H35N3O4/c1-14(2)10-17(13-20(26)25-29)21(27)19(11-15(3)4)24-22(28)18(23)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,29H,10-13,23H2,1-4H3,(H,24,28)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 18n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant stromelysin catalytic domain.


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 600n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 730n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50153015
PNG
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 760n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 900n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50105589
PNG
(2,3,4-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H14O8/c17-7-3-12(19)10-5-8(6-23-13(10)4-7)24-16(22)9-1-2-11(18)15(21)14(9)20/h1-4,8,17-21H,5-6H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.36E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043807
PNG
((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant stromelysin catalytic domain.


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105589
PNG
(2,3,4-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1ccc(O)c(O)c1O
Show InChI InChI=1S/C16H14O8/c17-7-3-12(19)10-5-8(6-23-13(10)4-7)24-16(22)9-1-2-11(18)15(21)14(9)20/h1-4,8,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.83E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109690
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-9(2-4-11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109694
PNG
(3,4,5-Trihydroxy-benzoic acid chroman-3-yl ester |...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2ccccc2C1
Show InChI InChI=1S/C16H14O6/c17-12-6-10(7-13(18)15(12)19)16(20)22-11-5-9-3-1-2-4-14(9)21-8-11/h1-4,6-7,11,17-19H,5,8H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109688
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dihydroxy-chroma...)
Show SMILES Oc1cc(O)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O8/c17-8-3-11(18)10-5-9(6-23-14(10)4-8)24-16(22)7-1-12(19)15(21)13(20)2-7/h1-4,9,17-21H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50105592
PNG
(2,3,4-Trihydroxy-benzoic acid 2-(6,7-dihydroxy-chr...)
Show SMILES Oc1ccc(C(=O)OCCC2COc3cc(O)c(O)cc3C2)c(O)c1O
Show InChI InChI=1S/C18H18O8/c19-12-2-1-11(16(22)17(12)23)18(24)25-4-3-9-5-10-6-13(20)14(21)7-15(10)26-8-9/h1-2,6-7,9,19-23H,3-5,8H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.33E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory concentration against polymerization in A17 double mutant HIV-1 RT using a template primer of poly rC/dG12-18 and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109689
PNG
(3,4,5-Trihydroxy-benzoic acid 5,7-dimethoxy-chroma...)
Show SMILES COc1cc(OC)c2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C18H18O8/c1-23-10-6-15(24-2)12-5-11(8-25-16(12)7-10)26-18(22)9-3-13(19)17(21)14(20)4-9/h3-4,6-7,11,19-21H,5,8H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109695
PNG
(3,4,5-Trihydroxy-benzoic acid phenethyl ester | CH...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCCc1ccccc1
Show InChI InChI=1S/C15H14O5/c16-12-8-11(9-13(17)14(12)18)15(19)20-7-6-10-4-2-1-3-5-10/h1-5,8-9,16-18H,6-7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043807
PNG
((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS).


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase polymerization using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109690
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(4-hydroxy-phenyl)...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1
Show InChI InChI=1S/C15H14O6/c16-11-3-1-9(2-4-11)5-6-21-15(20)10-7-12(17)14(19)13(18)8-10/h1-4,7-8,16-19H,5-6H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using A17 double mutant HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109697
PNG
(3,4,5-Trihydroxy-benzoic acid 5-hydroxy-chroman-3-...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC1COc2cccc(O)c2C1
Show InChI InChI=1S/C16H14O7/c17-11-2-1-3-14-10(11)6-9(7-22-14)23-16(21)8-4-12(18)15(20)13(19)5-8/h1-5,9,17-20H,6-7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.70E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043801
PNG
((S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-p...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant stromelysin catalytic domain.


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit HIV-1 reverse transcriptase strand transfer using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109692
PNG
(3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(CCOC(=O)c2cc(O)c(O)c(O)c2)cc1O
Show InChI InChI=1S/C15H14O7/c16-10-2-1-8(5-11(10)17)3-4-22-15(21)9-6-12(18)14(20)13(19)7-9/h1-2,5-7,16-20H,3-4H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50105592
PNG
(2,3,4-Trihydroxy-benzoic acid 2-(6,7-dihydroxy-chr...)
Show SMILES Oc1ccc(C(=O)OCCC2COc3cc(O)c(O)cc3C2)c(O)c1O
Show InChI InChI=1S/C18H18O8/c19-12-2-1-11(16(22)17(12)23)18(24)25-4-3-9-5-10-6-13(20)14(21)7-15(10)26-8-9/h1-2,6-7,9,19-23H,3-5,8H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.07E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of polymerization in wild type HIV-1 RT with poly rC/dG12-18 template primer and [3H]dGTP


Bioorg Med Chem Lett 11: 2763-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92BTR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043805
PNG
((S)-2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-pro...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1
Show InChI InChI=1S/C23H21N3O6/c27-20-10-11-21(28)26(20)32-22(29)19(12-16-13-24-18-9-5-4-8-17(16)18)25-23(30)31-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,25,30)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant stromelysin catalytic domain.


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043803
PNG
((S)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length stromelysin (FLS).


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50043803
PNG
((S)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-...)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant stromelysin catalytic domain.


J Med Chem 37: 206-9 (1994)


BindingDB Entry DOI: 10.7270/Q2X34WH1
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50109696
PNG
(3,4,5-Trihydroxy-benzoic acid 7-hydroxy-chroman-3-...)
Show SMILES Oc1ccc2CC(COc2c1)OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C16H14O7/c17-10-2-1-8-3-11(7-22-14(8)6-10)23-16(21)9-4-12(18)15(20)13(19)5-9/h1-2,4-6,11,17-20H,3,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.08E+4n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase polymerization using wild type HIV-1-RT enzyme


Bioorg Med Chem Lett 12: 525-8 (2002)


BindingDB Entry DOI: 10.7270/Q26W99DZ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 108 total )  |  Next  |  Last  >>
Jump to: